Mitemcinal fumerate
TL;DR: Mitemcinal fumerate (CAS 154802-96-7) is a chemical compound with molecular formula C44H73NO16 and molecular weight 871.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;(2S,4R,5R,8R,9S,10S,11R,12R)-5-ethyl-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propan-2-yl)amino]oxan-2-yl]oxy-4-methoxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-ene-3,7-dione
Also Known As: Mitemcinal fumarate, mitemcinal, Mitemcinal fumerate, KITA-KU TOYKO, 5-1 UKIMA 5 CHOME
| Molecular Formula | C44H73NO16 |
|---|---|
| Molecular Weight | 871.49 g/mol |
| LogP | 4.245 |
| Topological Polar Surface Area | 226.28 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 871.4929 |
| Heavy Atoms | 61 |
| Complexity | 1586.0227 |
Chemical Identifiers
| CAS Number | 154802-96-7 |
|---|---|
| SMILES | CC[C@@H]1[C@@](C(=O)[C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C(C)C)O)C)C)C)(C)OC.C(=C/C(=O)O)\C(=O)O |
Product Overview
Mitemcinal fumerate (CAS 154802-96-7), with molecular formula C44H73NO16 and molecular weight 871.49 g/mol. IUPAC: (E)-but-2-enedioic acid;(2S,4R,5R,8R,9S,10S,11R,12R)-5-ethyl-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propan-2-yl)amino]oxan-2-yl]oxy-4-methoxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-ene-3,7-dione.
Chemical Property Profile of Mitemcinal fumerate
Property Insights of Mitemcinal fumerate
The XLogP value of 4.245 indicates that Mitemcinal fumerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 226.28 Ų indicates high polarity, suggesting Mitemcinal fumerate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mitemcinal fumerate has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mitemcinal fumerate?
The CAS number of Mitemcinal fumerate is 154802-96-7.
What is the molecular formula of Mitemcinal fumerate?
The molecular formula of Mitemcinal fumerate is C44H73NO16.
What is the molecular weight of Mitemcinal fumerate?
The molecular weight of Mitemcinal fumerate is 871.49 g/mol.
Where can I buy Mitemcinal fumerate?
You can request a quote for Mitemcinal fumerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mitemcinal fumerate?
Yes, KEHONG BIO provides custom synthesis services for Mitemcinal fumerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.